1-(difluoromethoxy)-3-(sulfamoylamino)benzene

C7H8F2N2O3S — CID 112573446

IUPAC1-(difluoromethoxy)-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C7H8F2N2O3S/c8-7(9)14-6-3-1-2-5(4-6)11-15(10,12)13/h1-4,7,11H,(H2,10,12,13)
InChIKeyCRMMOCBRFBSJLH-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.90
Rot. Bonds4

About 1-(difluoromethoxy)-3-(sulfamoylamino)benzene

1-(difluoromethoxy)-3-(sulfamoylamino)benzene (PubChem CID 112573446) has the molecular formula C7H8F2N2O3S and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-(sulfamoylamino)benzene
PubChem CID112573446
Molecular FormulaC7H8F2N2O3S
Molecular Weight238.22 g/mol
Exact Mass238.02
IUPAC Name1-(difluoromethoxy)-3-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C7H8F2N2O3S/c8-7(9)14-6-3-1-2-5(4-6)11-15(10,12)13/h1-4,7,11H,(H2,10,12,13)
InChIKeyCRMMOCBRFBSJLH-UHFFFAOYSA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308
methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208
[3-(difluoromethoxy)phenyl]thiourea
CID 51000160
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
N-[3-(difluoromethoxy)phenyl]-2-methylpropane-2-sulfinamide
CID 139414623
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(difluoromethoxy)-3-(sulfamoylamino)benzene (CID 112573446) is 1-(difluoromethoxy)-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-(sulfamoylamino)benzene?
The InChIKey is CRMMOCBRFBSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3S/c8-7(9)14-6-3-1-2-5(4-6)11-15(10,12)13/h1-4,7,11H,(H2,10,12,13).
What are the key properties of 1-(difluoromethoxy)-3-(sulfamoylamino)benzene?
1-(difluoromethoxy)-3-(sulfamoylamino)benzene has a molecular weight of 238.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-(sulfamoylamino)benzene is sourced from PubChem (CID 112573446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).